N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine

C272H183FN14S — CID 158857122

IUPACN-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine
SMILESC(=C/c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.C(=C/c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2cccnc2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)cc1.C(=C/c1ccc2cc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc2c1)\c1ccc(N(c2ccccc2)c2ccccn2)cc1.C/C(=C(/C)c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2ccc(F)cc2)c2ccccc12)c1ccc(N(c2ccccc2)c2ccccc2)cn1.[2H]/C(=C(/[2H])c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2ccc(-c3ccccc3)cc2)cn1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H42N2.C55H35N3S.C55H37N3.C51H36FN3.C49H33N3/c1-5-16-44(17-6-1)48-40-49(45-18-7-2-8-19-45)42-53(41-48)64-59-27-15-20-47-33-37-58-57(38-39-60(64)62(58)61(47)59)56-36-32-46(54-25-13-14-26-55(54)56)31-28-43-29-34-52(35-30-43)63(50-21-9-3-10-22-50)51-23-11-4-12-24-51;1-2-11-39(12-3-1)57(41-27-30-48-47-16-6-7-18-52(47)59-53(48)34-41)40-25-20-36(21-26-40)19-22-37-23-28-45(44-15-5-4-14-43(37)44)46-31-32-51-55-49(46)29-24-38-10-8-17-50(54(38)55)58(51)42-13-9-33-56-35-42;1-3-10-39(11-4-1)41-22-30-48(31-23-41)58-52-17-9-14-42-25-33-51-50(34-35-53(58)55(51)54(42)52)44-21-27-45(56-37-44)26-18-38-19-28-47(29-20-38)57(46-15-5-2-6-16-46)49-32-24-40-12-7-8-13-43(40)36-49;1-33(34(2)47-30-25-40(32-53-47)54(37-13-5-3-6-14-37)38-15-7-4-8-16-38)41-27-28-44(43-18-10-9-17-42(41)43)45-29-31-49-51-46(45)26-20-35-12-11-19-48(50(35)51)55(49)39-23-21-36(52)22-24-39;1-3-11-40(12-4-1)51(47-16-7-8-31-50-47)42-26-20-34(21-27-42)17-18-35-19-22-38-33-39(24-23-37(38)32-35)43-29-30-46-49-44(43)28-25-36-10-9-15-45(48(36)49)52(46)41-13-5-2-6-14-41/h1-42H;1-35H;1-37H;3-32H,1-2H3;1-33H/b31-28+;22-19+;26-18+;34-33+;18-17+/i;;18D,26D;;
InChIKeyJAESOZGRZPTAJF-MCZFZDLTSA-N
MW3700.63 g/mol
LogP75.04
Rot. Bonds38

About N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine

N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine (PubChem CID 158857122) has the molecular formula C272H183FN14S and a molecular weight of 3700.63 g/mol. Its IUPAC name is N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine
PubChem CID158857122
Molecular FormulaC272H183FN14S
Molecular Weight3700.63 g/mol
Exact Mass3697.46
IUPAC NameN-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine
SMILESC(=C/c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.C(=C/c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2cccnc2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)cc1.C(=C/c1ccc2cc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc2c1)\c1ccc(N(c2ccccc2)c2ccccn2)cc1.C/C(=C(/C)c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2ccc(F)cc2)c2ccccc12)c1ccc(N(c2ccccc2)c2ccccc2)cn1.[2H]/C(=C(/[2H])c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2ccc(-c3ccccc3)cc2)cn1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H42N2.C55H35N3S.C55H37N3.C51H36FN3.C49H33N3/c1-5-16-44(17-6-1)48-40-49(45-18-7-2-8-19-45)42-53(41-48)64-59-27-15-20-47-33-37-58-57(38-39-60(64)62(58)61(47)59)56-36-32-46(54-25-13-14-26-55(54)56)31-28-43-29-34-52(35-30-43)63(50-21-9-3-10-22-50)51-23-11-4-12-24-51;1-2-11-39(12-3-1)57(41-27-30-48-47-16-6-7-18-52(47)59-53(48)34-41)40-25-20-36(21-26-40)19-22-37-23-28-45(44-15-5-4-14-43(37)44)46-31-32-51-55-49(46)29-24-38-10-8-17-50(54(38)55)58(51)42-13-9-33-56-35-42;1-3-10-39(11-4-1)41-22-30-48(31-23-41)58-52-17-9-14-42-25-33-51-50(34-35-53(58)55(51)54(42)52)44-21-27-45(56-37-44)26-18-38-19-28-47(29-20-38)57(46-15-5-2-6-16-46)49-32-24-40-12-7-8-13-43(40)36-49;1-33(34(2)47-30-25-40(32-53-47)54(37-13-5-3-6-14-37)38-15-7-4-8-16-38)41-27-28-44(43-18-10-9-17-42(41)43)45-29-31-49-51-46(45)26-20-35-12-11-19-48(50(35)51)55(49)39-23-21-36(52)22-24-39;1-3-11-40(12-4-1)51(47-16-7-8-31-50-47)42-26-20-34(21-27-42)17-18-35-19-22-38-33-39(24-23-37(38)32-35)43-29-30-46-49-44(43)28-25-36-10-9-15-45(48(36)49)52(46)41-13-5-2-6-14-41/h1-42H;1-35H;1-37H;3-32H,1-2H3;1-33H/b31-28+;22-19+;26-18+;34-33+;18-17+/i;;18D,26D;;
InChIKeyJAESOZGRZPTAJF-MCZFZDLTSA-N
XLogP75.04
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds38
Heavy Atoms288
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003700.63
LogP ≤ 575.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine (CID 158857122) is N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine is C(=C/c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.C(=C/c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2cccnc2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)cc1.C(=C/c1ccc2cc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc2c1)\c1ccc(N(c2ccccc2)c2ccccn2)cc1.C/C(=C(/C)c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2ccc(F)cc2)c2ccccc12)c1ccc(N(c2ccccc2)c2ccccc2)cn1.[2H]/C(=C(/[2H])c1ccc(-c2ccc3c4c2ccc2cccc(c24)n3-c2ccc(-c3ccccc3)cc2)cn1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine?
The InChIKey is JAESOZGRZPTAJF-MCZFZDLTSA-N. The full InChI is InChI=1S/C62H42N2.C55H35N3S.C55H37N3.C51H36FN3.C49H33N3/c1-5-16-44(17-6-1)48-40-49(45-18-7-2-8-19-45)42-53(41-48)64-59-27-15-20-47-33-37-58-57(38-39-60(64)62(58)61(47)59)56-36-32-46(54-25-13-14-26-55(54)56)31-28-43-29-34-52(35-30-43)63(50-21-9-3-10-22-50)51-23-11-4-12-24-51;1-2-11-39(12-3-1)57(41-27-30-48-47-16-6-7-18-52(47)59-53(48)34-41)40-25-20-36(21-26-40)19-22-37-23-28-45(44-15-5-4-14-43(37)44)46-31-32-51-55-49(46)29-24-38-10-8-17-50(54(38)55)58(51)42-13-9-33-56-35-42;1-3-10-39(11-4-1)41-22-30-48(31-23-41)58-52-17-9-14-42-25-33-51-50(34-35-53(58)55(51)54(42)52)44-21-27-45(56-37-44)26-18-38-19-28-47(29-20-38)57(46-15-5-2-6-16-46)49-32-24-40-12-7-8-13-43(40)36-49;1-33(34(2)47-30-25-40(32-53-47)54(37-13-5-3-6-14-37)38-15-7-4-8-16-38)41-27-28-44(43-18-10-9-17-42(41)43)45-29-31-49-51-46(45)26-20-35-12-11-19-48(50(35)51)55(49)39-23-21-36(52)22-24-39;1-3-11-40(12-4-1)51(47-16-7-8-31-50-47)42-26-20-34(21-27-42)17-18-35-19-22-38-33-39(24-23-37(38)32-35)43-29-30-46-49-44(43)28-25-36-10-9-15-45(48(36)49)52(46)41-13-5-2-6-14-41/h1-42H;1-35H;1-37H;3-32H,1-2H3;1-33H/b31-28+;22-19+;26-18+;34-33+;18-17+/i;;18D,26D;;.
What are the key properties of N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine?
N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine has a molecular weight of 3700.63 g/mol, XLogP of 75.04, 38 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-1,2-dideuterio-2-[5-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]-2-pyridinyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[(E)-2-[4-[15-(3,5-diphenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline;6-[(E)-3-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]naphthalen-1-yl]but-2-en-2-yl]-N,N-diphenylpyridin-3-amine;N-phenyl-N-[4-[(E)-2-[6-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-2-yl]ethenyl]phenyl]pyridin-2-amine;N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 158857122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).